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Basic information
- Standard SMILES
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2C[C@H](CO)[C@@H](O)C2)c(Br)c1- InChIKey
SOOUUYYMJUNBQY-ABAIWWIYSA-N- Molecular formula
- C18H17BrF3N3O4
- Average molar mass
- 476.2 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-6-((3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
- IUPAC
- 5-bromo-6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
5-Bromo-6-((3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideSCHEMBL15392195
Database identifiers
- PubChem CID
- 89907262
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 563
Related reactions
1 records
Compound notes
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